BDBM50015931 3-Benzenesulfonylmethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester::CHEMBL313480

SMILES: CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(CS(=O)(=O)c1ccccc1)CS2(=O)=O

InChI Key: InChIKey=CPRSGZFVRKAHPN-MYJWUSKBSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50015931   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leukocyte elastase (Homo sapiens (Human))	BDBM50015931 (3-Benzenesulfonylmethyl-7-methoxy-5,5,8-trioxo-5la...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(CS(=O)(=O)c1ccccc1)CS2(=O)=O |t:15| Show InChI InChI=1S/C19H23NO8S2/c1-19(2,3)28-18(22)14-12(10-29(23,24)13-8-6-5-7-9-13)11-30(25,26)17-15(27-4)16(21)20(14)17/h5-9,15,17H,10-11H2,1-4H3/t15-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase (HLE)				J Med Chem 33: 2529-35 (1990) BindingDB Entry DOI: 10.7270/Q2FQ9VK8
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50015931 (3-Benzenesulfonylmethyl-7-methoxy-5,5,8-trioxo-5la...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(CS(=O)(=O)c1ccccc1)CS2(=O)=O |t:15| Show InChI InChI=1S/C19H23NO8S2/c1-19(2,3)28-18(22)14-12(10-29(23,24)13-8-6-5-7-9-13)11-30(25,26)17-15(27-4)16(21)20(14)17/h5-9,15,17H,10-11H2,1-4H3/t15-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase (HLE)				J Med Chem 33: 2529-35 (1990) BindingDB Entry DOI: 10.7270/Q2FQ9VK8
					More data for this Ligand-Target Pair